7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol

C21H18N2O4 — CID 170990206

IUPAC7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol
SMILESCOc1cc2ccncc2c(O)c1Cc1c(OC)cc(O)c2cnccc12
InChIInChI=1S/C21H18N2O4/c1-26-19-7-12-3-5-22-10-16(12)21(25)15(19)8-14-13-4-6-23-11-17(13)18(24)9-20(14)27-2/h3-7,9-11,24-25H,8H2,1-2H3
InChIKeyBVYBRELSSYHUDV-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.80
Rot. Bonds4

About 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol

7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol (PubChem CID 170990206) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol.

Molecular Properties

Compound Name7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol
PubChem CID170990206
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol
SMILESCOc1cc2ccncc2c(O)c1Cc1c(OC)cc(O)c2cnccc12
InChIInChI=1S/C21H18N2O4/c1-26-19-7-12-3-5-22-10-16(12)21(25)15(19)8-14-13-4-6-23-11-17(13)18(24)9-20(14)27-2/h3-7,9-11,24-25H,8H2,1-2H3
InChIKeyBVYBRELSSYHUDV-UHFFFAOYSA-N
XLogP3.80
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol?
The IUPAC name of 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol (CID 170990206) is 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol.
What is the SMILES notation for 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol?
The canonical SMILES for 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol is COc1cc2ccncc2c(O)c1Cc1c(OC)cc(O)c2cnccc12.
What is the InChIKey of 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol?
The InChIKey is BVYBRELSSYHUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-19-7-12-3-5-22-10-16(12)21(25)15(19)8-14-13-4-6-23-11-17(13)18(24)9-20(14)27-2/h3-7,9-11,24-25H,8H2,1-2H3.
What are the key properties of 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol?
7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol has a molecular weight of 362.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8-hydroxy-6-methoxyisoquinolin-5-yl)methyl]-6-methoxyisoquinolin-8-ol is sourced from PubChem (CID 170990206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).